(1s 2 2s 2 2p 2 5p 1 ) 4 S S 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4051.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 5p- electron | |
| 1 | 2p | 4.310380 | .38666875 |
| 2 | 3p | 2.414655 | -3.37854147 |
| 3 | 4p | 2.160574 | 7.73336263 |
| 4 | 5p | 2.083907 | -5.33755014 |
| 5 | 2p | 9.943142 | .03425103 |
| 6 | 5p | 28.640272 | -.00060069 |
| 7 | 4p | 41.705158 | -.00016255 |
| 8 | 4p | 1.497256 | -.01856031 |
| ORB.ENERGY,a.u. | -2.145600 | ||
| NORM | 1.000000 | < R > | 3.405337 | < R2 > | 13.041872 | < 1/R > | .415620 | < 1/R**2 > | .558132 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.531342 | 1.21548776 |
| 2 | 3p | 8.532804 | -.25901487 |
| 3 | 4p | 10.596168 | .04371695 |
| 4 | 5p | 2.619127 | .08895672 |
| 5 | 4p | 1.957711 | -.07923646 |
| 6 | 5p | 29.257395 | -.00157586 |
| 7 | 4p | 37.761354 | -.00075820 |
| 8 | 3p | 1.498521 | -.01035212 |
| 9 | 3p | 53.422742 | -.00006025 |
| ORB.ENERGY,a.u. | -18.131000 | ||
| NORM | 1.000000 | < R > | .378041 | < R2 > | .175621 | < 1/R > | 3.357285 | < 1/R**2 > | 15.298359 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.623615 | .42196542 |
| 2 | 2s | 6.970301 | -.86307416 |
| 3 | 3s | 7.116712 | -.28391684 |
| 4 | 4s | 26.938603 | .00206319 |
| 5 | 3s | 14.858231 | .01736833 |
| 6 | 5s | 7.158577 | -.02229629 |
| ORB.ENERGY,a.u. | -17.188000 | ||
| NORM | 1.000000 | < R > | .433317 | < R2 > | .220041 | < 1/R > | 3.384123 | < 1/R**2 > | 46.471937 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.111751 | .92673319 |
| 2 | 1s | 23.114644 | .07200369 |
| 3 | 2s | 14.109820 | .01948704 |
| 4 | 3s | 17.756845 | -.01558670 |
| 5 | 5s | 37.657096 | .00090229 |
| 6 | 4s | 89.369441 | -.00003596 |
| 7 | 5s | 11.953402 | .00035341 |
| ORB.ENERGY,a.u. | -102.910000 |
| NORM | 1.000000 | < R > | .096564 | < R2 > | .012499 | < 1/R > | 15.626162 | < 1/R**2 > | 491.710929 |
Total Energy= -337.07943725 a.u.
Kinetic Energy= 337.07296133 a.u.
Potential Energy= -674.15239857 a.u.
Virial Ratio = -2.00001921